(3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide

C19H26ClN3O3 — CID 99787391

IUPAC(3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@H]1COCCN1CC1CCC1
InChIInChI=1S/C19H26ClN3O3/c1-22(12-18(24)21-16-7-3-6-15(20)10-16)19(25)17-13-26-9-8-23(17)11-14-4-2-5-14/h3,6-7,10,14,17H,2,4-5,8-9,11-13H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyYXDJTDTYARMJGJ-QGZVFWFLSA-N
MW379.89 g/mol
LogP2.24
Rot. Bonds6

About (3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide

(3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide (PubChem CID 99787391) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is (3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide
PubChem CID99787391
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name(3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@H]1COCCN1CC1CCC1
InChIInChI=1S/C19H26ClN3O3/c1-22(12-18(24)21-16-7-3-6-15(20)10-16)19(25)17-13-26-9-8-23(17)11-14-4-2-5-14/h3,6-7,10,14,17H,2,4-5,8-9,11-13H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyYXDJTDTYARMJGJ-QGZVFWFLSA-N
XLogP2.24
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719168
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119732546
4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 86801210
(3S)-N-(3-anilino-3-oxopropyl)-4-(cyclobutylmethyl)morpholine-3-carboxamide
CID 124618160
4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide
CID 126776905
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55654055
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119294376
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 119294381
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294380
N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943524
N-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide
CID 38644459
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide
CID 42989986

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide (CID 99787391) is (3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide is CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@H]1COCCN1CC1CCC1.
What is the InChIKey of (3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is YXDJTDTYARMJGJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-22(12-18(24)21-16-7-3-6-15(20)10-16)19(25)17-13-26-9-8-23(17)11-14-4-2-5-14/h3,6-7,10,14,17H,2,4-5,8-9,11-13H2,1H3,(H,21,24)/t17-/m1/s1.
What are the key properties of (3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide?
(3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 99787391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).